6MVA
LDHA structure in complex with inhibitor 14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 193 |
Detector technology | CCD |
Collection date | 2012-06-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.541, 81.493, 103.532 |
Unit cell angles | 90.00, 98.55, 90.00 |
Refinement procedure
Resolution | 37.860 - 2.020 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.20900 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.020 | 4.420 | 2.050 |
Rmerge | 0.095 | 0.059 | 0.619 |
Number of reflections | 81874 | 8367 | 8203 |
<I/σ(I)> | 10 | ||
Completeness [%] | 98.9 | 99 | 99.5 |
Redundancy | 3.3 | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 292 | 30% PEG 3350 0.1M HEPES |